4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

C21H22N2O3 — CID 162663858

IUPAC4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCc1c(-c2ccccc2)oc(=O)n1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-16-19(18-13-6-3-7-14-18)26-21(25)23(16)20(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,22,24)
InChIKeyAZCGXSLRYPWUNG-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.00
Rot. Bonds6

About 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162663858) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162663858
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCc1c(-c2ccccc2)oc(=O)n1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C21H22N2O3/c1-16-19(18-13-6-3-7-14-18)26-21(25)23(16)20(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,22,24)
InChIKeyAZCGXSLRYPWUNG-UHFFFAOYSA-N
XLogP4.00
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Profexalone
CID 65786
5-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162643231
5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-2-oxo-N-pentyl-1,3-oxazole-3-carboxamide
CID 162649008
N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide
CID 162649896
2-oxo-N-pentyl-5-phenyl-1,3-oxazole-3-carboxamide
CID 162655322
5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162656601
5-(3-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162658596
5-[4-fluoro-2-(1-methylpiperidin-4-yl)phenyl]-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162661848
2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162662063
5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162663658
5-(4-chlorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162664891
5-[3-(1-methylpiperidin-4-yl)phenyl]-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162672913

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162663858) is 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is Cc1c(-c2ccccc2)oc(=O)n1C(=O)NCCCCc1ccccc1.
What is the InChIKey of 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is AZCGXSLRYPWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-16-19(18-13-6-3-7-14-18)26-21(25)23(16)20(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,22,24).
What are the key properties of 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162663858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).